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119264-50-5 | 1,1'-Biphenyl, 2,2',3,3',4,6'-hexabromo-
CAS No: 119264-50-5 Catalog No: AG000IGD MDL No:
Product Description
Catalog Number:
AG000IGD
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',4,6'-hexabromo-
CAS Number:
119264-50-5
Molecular Formula:
C12H4Br6
Molecular Weight:
627.5842
IUPAC Name:
1,2,3-tribromo-4-(2,3,6-tribromophenyl)benzene
InChI:
InChI=1S/C12H4Br6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H
InChI Key:
XKHIVUOSQAVYRG-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1Br)Br)c1c(Br)ccc(c1Br)Br
UNII:
S3KI4T3M0J
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.535g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
627.588g/mol
Monoisotopic Mass:
621.541g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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